methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate

C15H14ClNO3 — CID 2768469

IUPACmethyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)8-11-2-5-13(6-3-11)20-10-12-4-7-14(16)17-9-12/h2-7,9H,8,10H2,1H3
InChIKeyOITOGBNTVCCBJO-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate

methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate (PubChem CID 2768469) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate
PubChem CID2768469
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)8-11-2-5-13(6-3-11)20-10-12-4-7-14(16)17-9-12/h2-7,9H,8,10H2,1H3
InChIKeyOITOGBNTVCCBJO-UHFFFAOYSA-N
XLogP3.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate (CID 2768469) is methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate is COC(=O)Cc1ccc(OCc2ccc(Cl)nc2)cc1.
What is the InChIKey of methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate?
The InChIKey is OITOGBNTVCCBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-15(18)8-11-2-5-13(6-3-11)20-10-12-4-7-14(16)17-9-12/h2-7,9H,8,10H2,1H3.
What are the key properties of methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate?
methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate has a molecular weight of 291.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]acetate is sourced from PubChem (CID 2768469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).